2026-10-31_00000408
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ligand
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15PH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005525;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTI
InChI=1S/C15H21N3O3/c16-15(21)18-12-7-5-10(6-8-12)14(20)17-9-11-3-1-2-4-13(11)19/h5-8,11,13,19H,1-4,9H2,(H,17,20)(H3,16,18,21)/t11-,13-/m1/s1
InChI=1S/C15H21N3O3/c16-15(21)18-12-7-5-10(6-8-12)14(20)17-9-11-3-1-2-4-13(11)19/h5-8,11,13,19H,1-4,9H2,(H,17,20)(H3,16,18,21)/t11-,13-/m1/s1
SMILES: c1cc(ccc1C(=O)NC[C@H]2CCCC[C@H]2O)NC(=O)N
c1cc(ccc1C(=O)NC[C@H]2CCCC[C@H]2O)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%